GPCRdb

CHEMBL453653

Agent/drug
Bioactivity

CHEMBL453653

SMILES	COc1cccc2nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)n(C)c(=O)c12
InChIKey	HVRHVFJBNXLKGN-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	0
Rotatable bonds	5
Molecular weight (Da)	419.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

H₃	HRH3	Human	Histamine	A	pKi	9.81	9.81	9.81	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pIC50	5.38	5.38	5.38	ChEMBL
H₃	HRH3	Human	Histamine	A	pIC50	9.27	9.27	9.27	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL453653

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.